3,4-Diethylpyrrole

C8H13NCAS 16200-52-5123.20 g/mol

Open in Covalent MOL file
NH

Properties

Molecular formula
C8H13N
Molar mass
123.20 g/mol
Exact mass
123.1048 Da
logP
2.14Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
16200-52-5
SMILES
CCC1=CNC=C1CC
InChIKey
XMYRJQYUMXCUNX-UHFFFAOYSA-N
InChI
InChI=1S/C8H13N/c1-3-7-5-9-6-8(7)4-2/h5-6,9H,3-4H2,1-2H3

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Names and synonyms

5 names
  • 3,4-Diethyl-1H-pyrrole
  • 3,4-Diethyl-pyrrol
  • 1H-Pyrrole, 3,4-diethyl-
  • 3,4-Diethypyrrole
  • 3,4-Diethyl pyrrole

Reactions

Work with 3,4-Diethylpyrrole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Diethylbenzene135-01-345 % similar 2,6-Diethylaniline579-66-838 % similar 1-Bromo-2-ethylbenzene1973-22-436 % similar 1-Ethyl-2-methylbenzene611-14-336 % similar 1,3,5-Triethylbenzene102-25-035 % similar 1,4-Diethylbenzene105-05-535 % similar 1-Ethyl-2-iodobenzene18282-40-135 % similar 2-Ethylbenzenethiol4500-58-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,4,5-Tetramethylpyrrole1003-90-3 2,4-Dimethyl-3-ethylpyrrole517-22-6 5-Norbonene-2-methanamine95-10-3

Elsewhere

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